4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one

C16H13NO4 — CID 54709938

IUPAC4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one
SMILESCc1cc(O)c(C(=O)Cc2c[nH]c3ccccc23)c(=O)o1
InChIInChI=1S/C16H13NO4/c1-9-6-13(18)15(16(20)21-9)14(19)7-10-8-17-12-5-3-2-4-11(10)12/h2-6,8,17-18H,7H2,1H3
InChIKeyBFFPAFYIIKDATQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.56
Rot. Bonds3

About 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one

4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one (PubChem CID 54709938) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one
PubChem CID54709938
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one
SMILESCc1cc(O)c(C(=O)Cc2c[nH]c3ccccc23)c(=O)o1
InChIInChI=1S/C16H13NO4/c1-9-6-13(18)15(16(20)21-9)14(19)7-10-8-17-12-5-3-2-4-11(10)12/h2-6,8,17-18H,7H2,1H3
InChIKeyBFFPAFYIIKDATQ-UHFFFAOYSA-N
XLogP2.56
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(E)-3-(5-chloro-1H-indol-3-yl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
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1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
3-(4-ethylpiperazine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one?
The IUPAC name of 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one (CID 54709938) is 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one is Cc1cc(O)c(C(=O)Cc2c[nH]c3ccccc23)c(=O)o1.
What is the InChIKey of 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one?
The InChIKey is BFFPAFYIIKDATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9-6-13(18)15(16(20)21-9)14(19)7-10-8-17-12-5-3-2-4-11(10)12/h2-6,8,17-18H,7H2,1H3.
What are the key properties of 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one?
4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one has a molecular weight of 283.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(1H-indol-3-yl)acetyl]-6-methylpyran-2-one is sourced from PubChem (CID 54709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).